@MOLECULE (5z,8z,10s,11z,14z)-10-hydroxy-5,8,11,14-icosatetraenoic acid 55 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3160 -0.6618 -2.3542 O.3 1 UNL1111111111 -0.5681 2 O 4.4746 -0.3138 -0.6489 O.3 1 UNL1111111111 -0.5733 3 O 3.4645 -0.0399 1.3127 O.2 1 UNL1111111111 -0.5267 4 C 0.6678 1.9779 1.6714 C.3 1 UNL1111111111 -0.2687 5 C 0.7132 2.2367 0.1619 C.3 1 UNL1111111111 -0.2747 6 C -0.7307 1.5177 2.1161 C.3 1 UNL1111111111 -0.2790 7 C 2.0696 2.8155 -0.2570 C.3 1 UNL1111111111 -0.2533 8 C -1.7298 2.6122 1.9284 C.2 1 UNL1111111111 -0.1330 9 C 2.1614 2.9215 -1.7792 C.3 1 UNL1111111111 -0.4401 10 C 1.5099 -2.0285 0.5869 C.3 1 UNL1111111111 -0.2346 11 C 0.6170 -3.0752 -0.0938 C.3 1 UNL1111111111 -0.2889 12 C -2.7987 2.5853 1.1260 C.2 1 UNL1111111111 -0.1832 13 C -3.2021 1.4463 0.2414 C.3 1 UNL1111111111 -0.2869 14 C 2.3642 -1.3092 -0.4613 C.3 1 UNL1111111111 -0.3555 15 C -0.2210 -3.7938 0.9131 C.2 1 UNL1111111111 -0.1420 16 C -1.3817 -0.3194 -1.4806 C.3 1 UNL1111111111 0.1597 17 C -2.0485 -2.0771 0.9592 C.3 1 UNL1111111111 -0.2909 18 C -2.7888 1.7438 -1.1661 C.2 1 UNL1111111111 -0.1083 19 C -1.4052 -3.3684 1.3646 C.2 1 UNL1111111111 -0.1686 20 C -2.0073 0.9695 -1.9229 C.2 1 UNL1111111111 -0.2492 21 C -2.3828 -1.4379 -1.4578 C.2 1 UNL1111111111 -0.2514 22 C -2.6611 -2.2034 -0.3996 C.2 1 UNL1111111111 -0.1015 23 C 3.4264 -0.5008 0.2016 C.2 1 UNL1111111111 0.6596 24 H 0.9605 2.8895 2.2234 H 1 UNL1111111111 0.1385 25 H 1.4208 1.2091 1.9445 H 1 UNL1111111111 0.1563 26 H 0.5176 1.2996 -0.3928 H 1 UNL1111111111 0.1377 27 H -0.1014 2.9262 -0.1314 H 1 UNL1111111111 0.1432 28 H -0.7013 1.2230 3.1869 H 1 UNL1111111111 0.1463 29 H -1.0114 0.5997 1.5668 H 1 UNL1111111111 0.1335 30 H 2.2163 3.8095 0.2043 H 1 UNL1111111111 0.1311 31 H 2.8890 2.1801 0.1313 H 1 UNL1111111111 0.1391 32 H -1.5141 3.5045 2.5205 H 1 UNL1111111111 0.1407 33 H 1.3727 3.5658 -2.1823 H 1 UNL1111111111 0.1399 34 H 2.0552 1.9393 -2.2550 H 1 UNL1111111111 0.1464 35 H 3.1243 3.3374 -2.0926 H 1 UNL1111111111 0.1372 36 H 2.1517 -2.5119 1.3479 H 1 UNL1111111111 0.1490 37 H 0.8954 -1.2950 1.1468 H 1 UNL1111111111 0.1493 38 H 1.2432 -3.7977 -0.6564 H 1 UNL1111111111 0.1405 39 H -0.0197 -2.5871 -0.8649 H 1 UNL1111111111 0.1736 40 H -3.4614 3.4478 1.0610 H 1 UNL1111111111 0.1399 41 H -2.7901 0.4830 0.6020 H 1 UNL1111111111 0.1532 42 H -4.3069 1.3053 0.2790 H 1 UNL1111111111 0.1549 43 H 2.8134 -2.0311 -1.1779 H 1 UNL1111111111 0.1836 44 H 1.7273 -0.6476 -1.1003 H 1 UNL1111111111 0.2053 45 H 0.2035 -4.7334 1.2693 H 1 UNL1111111111 0.1376 46 H -0.8263 -0.1975 -0.5141 H 1 UNL1111111111 0.1577 47 H -2.8344 -1.7863 1.6917 H 1 UNL1111111111 0.1530 48 H -1.2953 -1.2581 1.0061 H 1 UNL1111111111 0.1588 49 H -3.1847 2.6844 -1.5547 H 1 UNL1111111111 0.1457 50 H -1.9756 -3.9537 2.0831 H 1 UNL1111111111 0.1402 51 H -1.7448 1.2604 -2.9402 H 1 UNL1111111111 0.1584 52 H -2.8819 -1.6010 -2.4127 H 1 UNL1111111111 0.1518 53 H -3.3932 -3.0114 -0.4759 H 1 UNL1111111111 0.1468 54 H -0.6382 -0.8584 -3.2538 H 1 UNL1111111111 0.3172 55 H 5.2022 0.2324 -0.2691 H 1 UNL1111111111 0.3519 @BOND 1 1 16 1 2 1 54 1 3 2 23 1 4 2 55 1 5 3 23 2 6 4 5 1 7 4 6 1 8 4 24 1 9 4 25 1 10 5 7 1 11 5 26 1 12 5 27 1 13 6 8 1 14 6 28 1 15 6 29 1 16 7 9 1 17 7 30 1 18 7 31 1 19 8 12 2 20 8 32 1 21 9 33 1 22 9 34 1 23 9 35 1 24 10 11 1 25 10 14 1 26 10 36 1 27 10 37 1 28 11 15 1 29 11 38 1 30 11 39 1 31 12 13 1 32 12 40 1 33 13 18 1 34 13 41 1 35 13 42 1 36 14 23 1 37 14 43 1 38 14 44 1 39 15 19 2 40 15 45 1 41 16 20 1 42 16 21 1 43 16 46 1 44 17 19 1 45 17 22 1 46 17 47 1 47 17 48 1 48 18 20 2 49 18 49 1 50 19 50 1 51 20 51 1 52 21 22 2 53 21 52 1 54 22 53 1